Prob_Angle Segmentation Fault or Bug?

Thanks Brian,

It seems to work so far.

Josh

Hi Brian,

So far in the updated version, I'm not finding any runtime errors with GCMC, but with NPT, I'm sometimes seeing

Attempted to delete part of molecule 375 of species 1
but the molecule energy is too high
Try increasing Rcutoff_Low, increasing the box size, or
decreasing the initial number of molecules
This error occurred in subroutine Cut_N_Grow on step 238.
Fatal Error. Stopping program.

This is when I turn Prob_Angle on. If I do not have Prob_Angle, I don't see this error.

I can do what it says, and decrease the number of initial molecules and then it will run.

Is this expected with Prob_Angle? If I keep everything except Prob_Angle, including Prob_Dihedral, it runs ok.

I'm attaching an example which generates the error within 100 steps.

Thanks.

Josh